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28953-98-2

28953-98-2 | Carbonothioic acid, O-ethyl ester

CAS No: 28953-98-2 Catalog No: AG002UZO MDL No:

Product Description

Catalog Number:
AG002UZO
Chemical Name:
Carbonothioic acid, O-ethyl ester
CAS Number:
28953-98-2
Molecular Formula:
C3H5O2S-
Molecular Weight:
105.1356
IUPAC Name:
ethoxymethanethioate
InChI:
InChI=1S/C3H6O2S/c1-2-5-3(4)6/h2H2,1H3,(H,4,6)/p-1
InChI Key:
MYXNWWDJRWCURH-UHFFFAOYSA-M
SMILES:
[O-]C(=S)OCC

Properties

Complexity:
52.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
105.001g/mol
Formal Charge:
-1  
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
105.131g/mol
Monoisotopic Mass:
105.001g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

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